3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one

C9H13NO4 — CID 158872985

IUPAC3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one
SMILESCOCOc1cccn(COC)c1=O
InChIInChI=1S/C9H13NO4/c1-12-6-10-5-3-4-8(9(10)11)14-7-13-2/h3-5H,6-7H2,1-2H3
InChIKeyJCBPHSJMLMWXIJ-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.43
Rot. Bonds5

About 3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one

3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one (PubChem CID 158872985) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one
PubChem CID158872985
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one
SMILESCOCOc1cccn(COC)c1=O
InChIInChI=1S/C9H13NO4/c1-12-6-10-5-3-4-8(9(10)11)14-7-13-2/h3-5H,6-7H2,1-2H3
InChIKeyJCBPHSJMLMWXIJ-UHFFFAOYSA-N
XLogP0.43
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one?
The IUPAC name of 3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one (CID 158872985) is 3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one.
What is the SMILES notation for 3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one?
The canonical SMILES for 3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one is COCOc1cccn(COC)c1=O.
What is the InChIKey of 3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one?
The InChIKey is JCBPHSJMLMWXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-12-6-10-5-3-4-8(9(10)11)14-7-13-2/h3-5H,6-7H2,1-2H3.
What are the key properties of 3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one?
3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one has a molecular weight of 199.21 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one is sourced from PubChem (CID 158872985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).